[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=CC=C2SC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=CC=C2SC)OC

InChI

InChI=1S/C19H19NO6S/c1-24-14-9-8-12(10-21)17(18(14)25-2)19(23)26-11-16(22)20-13-6-4-5-7-15(13)27-3/h4-10H,11H2,1-3H3,(H,20,22)